Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 10g, 5g, 0.25g, 25g, 100g
- Available purity: >95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 4 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 3 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 2 In Stock | Beijing | Inquiry |
| 100g | >95% | 2 In Stock | Shenzhen | Inquiry |
87001-32-9 / 4-phenylmethoxybenzenesulfonyl chloride
Basic Information
CAS
87001-32-9
Multi CAS
Yes
Molecular Formula
C13H11CLO3S
Molecular Weight
282.740000
Exact Mass
282.011743
InChI
InChI=1S/C13H11ClO3S/c14-18(15,16)13-8-6-12(7-9-13)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
BRTDEKQMIKCPKH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
70.25
TPSA
43.37
LogP / Solubility
WLOGP
3.19
MLOGP
2.82
XLogP3
3.8
Consensus LogP
3.27
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
